piperidine-1-carbaldehyde

C6H11NO — CID 17429

IUPACpiperidine-1-carbaldehyde
SMILESO=CN1CCCCC1
InChIInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKeyFEWLNYSYJNLUOO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.63
Rot. Bonds1

About piperidine-1-carbaldehyde

piperidine-1-carbaldehyde (PubChem CID 17429) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is piperidine-1-carbaldehyde.

Molecular Properties

Compound Namepiperidine-1-carbaldehyde
PubChem CID17429
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namepiperidine-1-carbaldehyde
SMILESO=CN1CCCCC1
InChIInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKeyFEWLNYSYJNLUOO-UHFFFAOYSA-N
XLogP0.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbaldehyde?
The IUPAC name of piperidine-1-carbaldehyde (CID 17429) is piperidine-1-carbaldehyde.
What is the SMILES notation for piperidine-1-carbaldehyde?
The canonical SMILES for piperidine-1-carbaldehyde is O=CN1CCCCC1.
What is the InChIKey of piperidine-1-carbaldehyde?
The InChIKey is FEWLNYSYJNLUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2.
What are the key properties of piperidine-1-carbaldehyde?
piperidine-1-carbaldehyde has a molecular weight of 113.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbaldehyde is sourced from PubChem (CID 17429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).